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Journal of Chemical Theory and Computation
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May 8, 2014
Predicting the Impact of Missense Mutations on Protein-Protein Binding Affinity
Minghui Li, Marharyta Petukh, Emil Alexov, et al.
Journal of Molecular Biology
|
January 16, 2007
Calculation of pKas in RNA: on the structural origins and functional roles of protonated nucleotides
Christopher L Tang, Emil Alexov, Anna Marie Pyle, et al.
PMC Biophysics
|
April 9, 2009
On the electrostatic component of protein-protein binding free energy
Kemper Talley, Carmen Ng, Michael Shoppell, et al.
Journal of Chemical Theory and Computation
|
January 20, 2018
Reproducing the Ensemble Average Polar Solvation Energy of a Protein from a Single Structure: Gaussian-Based Smooth Dielectric Function for Macromolecular Modeling
Arghya Chakravorty, Zhe Jia, Lin Li, et al.
Scientific Reports
|
September 7, 2018
E-hooks provide guidance and a soft landing for the microtubule binding domain of dynein
Nayere Tajielyato, Lin Li, Yunhui Peng, et al.
International Journal of Molecular Sciences
|
September 13, 2025
CDKL5 Deficiency Disorder: Revealing the Molecular Mechanism of Pathogenic Variants
Shamrat Kumar Paul, Shailesh Kumar Panday, Luigi Boccuto, et al.
Bioinformatics (Oxford, England)
|
November 2, 2017
Predicting protein-DNA binding free energy change upon missense mutations using modified MM/PBSA approach: SAMPDI webserver
Yunhui Peng, Lexuan Sun, Zhe Jia, et al.
Genes
|
January 25, 2025
Further Development of SAMPDI-3D: A Machine Learning Method for Predicting Binding Free Energy Changes Caused by Mutations in Either Protein or DNA
Prawin Rimal, Shamrat Kumar Paul, Shailesh Kumar Panday, et al.
Journal of Chemical Information and Modeling
|
March 11, 2020
Capturing the Effects of Explicit Waters in Implicit Electrostatics Modeling: Qualitative Justification of Gaussian-Based Dielectric Models in DelPhi
Arghya Chakravorty, Shailesh Panday, Swagata Pahari, et al.
Biophysical Journal
|
August 19, 2007
Optimization of electrostatic interactions in protein-protein complexes
Kelly Brock, Kemper Talley, Kacey Coley, et al.
Page
of 16
Search research articles
Search
Showing results (81-90 of 151) with videos related to
Sort By:
Page
of 16
Journal of Chemical Theory and Computation
|
May 8, 2014
Predicting the Impact of Missense Mutations on Protein-Protein Binding Affinity
Minghui Li, Marharyta Petukh, Emil Alexov, et al.
Journal of Molecular Biology
|
January 16, 2007
Calculation of pKas in RNA: on the structural origins and functional roles of protonated nucleotides
Christopher L Tang, Emil Alexov, Anna Marie Pyle, et al.
PMC Biophysics
|
April 9, 2009
On the electrostatic component of protein-protein binding free energy
Kemper Talley, Carmen Ng, Michael Shoppell, et al.
Journal of Chemical Theory and Computation
|
January 20, 2018
Reproducing the Ensemble Average Polar Solvation Energy of a Protein from a Single Structure: Gaussian-Based Smooth Dielectric Function for Macromolecular Modeling
Arghya Chakravorty, Zhe Jia, Lin Li, et al.
Scientific Reports
|
September 7, 2018
E-hooks provide guidance and a soft landing for the microtubule binding domain of dynein
Nayere Tajielyato, Lin Li, Yunhui Peng, et al.
International Journal of Molecular Sciences
|
September 13, 2025
CDKL5 Deficiency Disorder: Revealing the Molecular Mechanism of Pathogenic Variants
Shamrat Kumar Paul, Shailesh Kumar Panday, Luigi Boccuto, et al.
Bioinformatics (Oxford, England)
|
November 2, 2017
Predicting protein-DNA binding free energy change upon missense mutations using modified MM/PBSA approach: SAMPDI webserver
Yunhui Peng, Lexuan Sun, Zhe Jia, et al.
Genes
|
January 25, 2025
Further Development of SAMPDI-3D: A Machine Learning Method for Predicting Binding Free Energy Changes Caused by Mutations in Either Protein or DNA
Prawin Rimal, Shamrat Kumar Paul, Shailesh Kumar Panday, et al.
Journal of Chemical Information and Modeling
|
March 11, 2020
Capturing the Effects of Explicit Waters in Implicit Electrostatics Modeling: Qualitative Justification of Gaussian-Based Dielectric Models in DelPhi
Arghya Chakravorty, Shailesh Panday, Swagata Pahari, et al.
Biophysical Journal
|
August 19, 2007
Optimization of electrostatic interactions in protein-protein complexes
Kelly Brock, Kemper Talley, Kacey Coley, et al.
Page
of 16